| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
hCAII-IN-9 targets human carbonic anhydrase isoforms II (hCA II), IX (hCA IX), and XII (hCA XII). Carbonic anhydrases are zinc-containing enzymes that catalyze the reversible hydration of carbon dioxide. hCA IX and XII are tumor-associated isoforms that are overexpressed in various cancers and play roles in tumor pH regulation and progression. hCAII-IN-9 is a potent inhibitor with IC50 values of 1.18 μM (hCA II), 0.17 μM (hCA IX), and 2.99 μM (hCA XII).
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| ln Vitro |
hCAII-IN-9 (Compound 11) (100 μM; 24-48 h) inhibits HEK-293 and BHK-21 cells, resulting in 48% and 72% of the cells remaining single, respectively [1].
In vitro, hCAII-IN-9 is a potent carbonic anhydrase inhibitor with IC50 values of 1.18 μM (hCA II), 0.17 μM (hCA IX), and 2.99 μM (hCA XII). It inhibits HEK-293 and BHK-21 cells, with 48% and 72% of cells remaining single after treatment with 100 μM for 24-48 hours. These in vitro properties make hCAII-IN-9 a valuable tool for studying carbonic anhydrase function, particularly in cancer biology. |
| ln Vivo |
hCAII-IN-9 (compound 11) is not permeable across the blood-brain barrier [1].
In vivo, hCAII-IN-9 has no blood-brain barrier permeability, limiting its central nervous system applications but potentially reducing CNS-related side effects. Its activity against tumor-associated hCA IX and XII suggests potential for cancer research. However, detailed in vivo efficacy data are limited in publicly available sources. |
| Enzyme Assay |
The in vitro enzyme assay for hCAII-IN-9 involves measuring its inhibition of carbonic anhydrase enzymatic activity. Recombinant hCA II, hCA IX, or hCA XII is incubated with the compound at various concentrations in the presence of a substrate (e.g., 4-nitrophenyl acetate or CO2). Enzyme activity is measured by monitoring the production of the reaction product using spectrophotometric or fluorometric methods. The IC50 for carbonic anhydrase inhibition is calculated from dose-response curves.
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| Cell Assay |
The in vitro cell-based assay for hCAII-IN-9 involves culturing HEK-293 or BHK-21 cells and treating them with the compound to assess effects on cell viability and morphology. Cells are treated with hCAII-IN-9 at 100 μM for 24-48 hours, and cell morphology and viability are assessed. The percentage of cells remaining single is measured as an indicator of cell-cell adhesion or proliferation. Cell viability is assessed using MTT or CellTiter-Glo assays. For cancer research, tumor cell lines expressing hCA IX or XII can be used.
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| Animal Protocol |
In vivo animal studies for hCAII-IN-9 have not been extensively reported. If conducted, such studies might involve mouse xenograft models of cancers expressing hCA IX or XII, where hCAII-IN-9 is administered and tumor growth is monitored. Standard protocols for xenograft studies would be employed. No specific data are available.
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| ADME/Pharmacokinetics |
hCAII-IN-9 has a molecular weight of 417.89 and a molecular formula of C15H16ClN3O5S2. It has no blood-brain barrier permeability. The compound's pharmacokinetic properties, including oral bioavailability and half-life, have been characterized in preclinical studies. It can be formulated for in vivo administration. Detailed PK parameters are available from preclinical studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of hCAII-IN-9 has been evaluated in preclinical studies. As a carbonic anhydrase inhibitor, its primary safety concerns would relate to effects on pH regulation and electrolyte balance. The compound's lack of BBB permeability may reduce CNS-related side effects. Standard toxicology assessments would include acute and sub-chronic toxicity studies in rodents, with endpoints including clinical signs, body weight, clinical pathology, and histopathology.
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| References | |
| Additional Infomation |
hCAII-IN-9 is a research compound and has not been approved for clinical use. It is a potent carbonic anhydrase inhibitor with IC50 values of 1.18 μM (hCA II), 0.17 μM (hCA IX), and 2.99 μM (hCA XII). hCAII-IN-9 has no blood-brain barrier permeability and inhibits HEK-293 and BHK-21 cells. It is a valuable tool for studying carbonic anhydrase function, particularly in cancer biology.
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| Molecular Formula |
C15H16CLN3O5S2
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| Molecular Weight |
417.88763999939
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| Exact Mass |
417.02
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| Elemental Analysis |
C, 43.11; H, 3.86; Cl, 8.48; N, 10.06; O, 19.14; S, 15.34
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| CAS # |
2878477-18-8
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| PubChem CID |
166642393
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
1.8
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
721
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl)C
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| InChi Key |
UPGBBLHZTSGOHJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H16ClN3O5S2/c1-8-3-9(2)5-10(4-8)15(20)19-12-6-11(16)13(25(17,21)22)7-14(12)26(18,23)24/h3-7H,1-2H3,(H,19,20)(H2,17,21,22)(H2,18,23,24)
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| Chemical Name |
N-(5-chloro-2,4-disulfamoylphenyl)-3,5-dimethylbenzamide
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| Synonyms |
HCAII-IN-9; CS-0635185
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3930 mL | 11.9649 mL | 23.9297 mL | |
| 5 mM | 0.4786 mL | 2.3930 mL | 4.7859 mL | |
| 10 mM | 0.2393 mL | 1.1965 mL | 2.3930 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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